5-(4-fluorophenyl)-5-[[1-hydroxy-6-(3,3,3-trifluoropropyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione

C21H17F4N3O3 — CID 90790489

IUPAC5-(4-fluorophenyl)-5-[[1-hydroxy-6-(3,3,3-trifluoropropyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cn2cc3ccc(CCC(F)(F)F)cc3c2O)(c2ccc(F)cc2)N1
InChIInChI=1S/C21H17F4N3O3/c22-15-5-3-14(4-6-15)20(18(30)26-19(31)27-20)11-28-10-13-2-1-12(7-8-21(23,24)25)9-16(13)17(28)29/h1-6,9-10,29H,7-8,11H2,(H2,26,27,30,31)
InChIKeyWDUJGORENPAIRR-UHFFFAOYSA-N
MW435.38 g/mol
LogP3.72
Rot. Bonds5

About 5-(4-fluorophenyl)-5-[[1-hydroxy-6-(3,3,3-trifluoropropyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione

5-(4-fluorophenyl)-5-[[1-hydroxy-6-(3,3,3-trifluoropropyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione (PubChem CID 90790489) has the molecular formula C21H17F4N3O3 and a molecular weight of 435.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-[[1-hydroxy-6-(3,3,3-trifluoropropyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-5-[[1-hydroxy-6-(3,3,3-trifluoropropyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione
PubChem CID90790489
Molecular FormulaC21H17F4N3O3
Molecular Weight435.38 g/mol
Exact Mass435.12
IUPAC Name5-(4-fluorophenyl)-5-[[1-hydroxy-6-(3,3,3-trifluoropropyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cn2cc3ccc(CCC(F)(F)F)cc3c2O)(c2ccc(F)cc2)N1
InChIInChI=1S/C21H17F4N3O3/c22-15-5-3-14(4-6-15)20(18(30)26-19(31)27-20)11-28-10-13-2-1-12(7-8-21(23,24)25)9-16(13)17(28)29/h1-6,9-10,29H,7-8,11H2,(H2,26,27,30,31)
InChIKeyWDUJGORENPAIRR-UHFFFAOYSA-N
XLogP3.72
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.38
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazolidine-2,4-dione
CID 90697260
(5R)-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90698350
5-(4-Fluorophenyl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90700643
5-(2,4-Difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90707302
(5R)-5-[2-(2,4-difluorophenyl)ethyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90721253
5-[(6-Fluoro-1-hydroxyisoindol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 90728782
N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-4-(trifluoromethyl)benzamide
CID 90734875
(5R)-5-[(1,5-dihydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione
CID 90740839
5-[4-(5-chloro-6-oxo-1H-pyridin-3-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90750580
(5S)-5-[4-(2-chloro-4-pyridinyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90759376
(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione
CID 90769418
(5S)-5-(1-benzyltriazol-4-yl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90772630

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-5-[[1-hydroxy-6-(3,3,3-trifluoropropyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-fluorophenyl)-5-[[1-hydroxy-6-(3,3,3-trifluoropropyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione (CID 90790489) is 5-(4-fluorophenyl)-5-[[1-hydroxy-6-(3,3,3-trifluoropropyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-5-[[1-hydroxy-6-(3,3,3-trifluoropropyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-fluorophenyl)-5-[[1-hydroxy-6-(3,3,3-trifluoropropyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione is O=C1NC(=O)C(Cn2cc3ccc(CCC(F)(F)F)cc3c2O)(c2ccc(F)cc2)N1.
What is the InChIKey of 5-(4-fluorophenyl)-5-[[1-hydroxy-6-(3,3,3-trifluoropropyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is WDUJGORENPAIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N3O3/c22-15-5-3-14(4-6-15)20(18(30)26-19(31)27-20)11-28-10-13-2-1-12(7-8-21(23,24)25)9-16(13)17(28)29/h1-6,9-10,29H,7-8,11H2,(H2,26,27,30,31).
What are the key properties of 5-(4-fluorophenyl)-5-[[1-hydroxy-6-(3,3,3-trifluoropropyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione?
5-(4-fluorophenyl)-5-[[1-hydroxy-6-(3,3,3-trifluoropropyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 435.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-5-[[1-hydroxy-6-(3,3,3-trifluoropropyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90790489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).